3-[4-[(2-methylpropan-2-yl)oxycarbonyl]-1,4-diazepan-1-ium-1-yl]propanoate

Systemtic Name: 3-[4-[(2-methylpropan-2-yl)oxycarbonyl]-1,4-diazepan-1-ium-1-yl]propanoate Openeye Name: 3-(4-tert-butoxycarbonyl-1,4-diazepan-1-ium-1-yl)propanoate CAS Name: 3-[4-[(2-methylpropan-2-yl)oxy-oxomethyl]-1,4-diazepan-1-ium-1-yl]propanoate IUPAC Name: 3-[4-[(2-methylpropan-2-yl)oxycarbonyl]-1,4-diazepan-1-ium-1-yl]propanoate Traditional Name: 3-(4-tert-butoxycarbonyl-1,4-diazepan-1-ium-1-yl)propionate Formula: C13H24N2O4 MolecularWeight: 272.34066

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC[NH+](CC1)CCC(=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC[NH+](CC1)CCC(=O)[O-]

InChI

InChI=1S/C13H24N2O4/c1-13(2,3)19-12(18)15-7-4-6-14(9-10-15)8-5-11(16)17/h4-10H2,1-3H3,(H,16,17)